2019
DOI: 10.1039/c9ta01195a
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MXenes with tunable work functions and their application as electron- and hole-transport materials in non-fullerene organic solar cells

Abstract: The work function of 2D Ti3C2Tx can be tuned in a range from 4.08 to 4.95 eV.

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Cited by 158 publications
(127 citation statements)
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“…32 As density functional theory (DFT) predicts, surface termination strongly influences the density of states 33 and the WF of MXenes 34 which can range from 1.6 eV (for OH-termination) to 6.25 eV (for Otermination). 34,35 This opens new opportunities for MXenes applications in optoelectronics and in particular in photovoltaics where already some initial studies have been presented for organic solar cells 36 , Si solar cells, 37 dye-synthesized solar cells 38 and PSCs. 39,40 In the PSC case, Ti3C2Tx MXenes have been incorporated into the perovskite absorber showing an improved morphology and an enhanced PCE (+12%) with respect to the reference cell without MXenes 39 or into the SnO2 electron transporting layer (ETL) 40 to provide superior charge transfer paths that permits to enhance the PCE (+6.5%) with respect to the reference cells.…”
mentioning
confidence: 99%
“…32 As density functional theory (DFT) predicts, surface termination strongly influences the density of states 33 and the WF of MXenes 34 which can range from 1.6 eV (for OH-termination) to 6.25 eV (for Otermination). 34,35 This opens new opportunities for MXenes applications in optoelectronics and in particular in photovoltaics where already some initial studies have been presented for organic solar cells 36 , Si solar cells, 37 dye-synthesized solar cells 38 and PSCs. 39,40 In the PSC case, Ti3C2Tx MXenes have been incorporated into the perovskite absorber showing an improved morphology and an enhanced PCE (+12%) with respect to the reference cell without MXenes 39 or into the SnO2 electron transporting layer (ETL) 40 to provide superior charge transfer paths that permits to enhance the PCE (+6.5%) with respect to the reference cells.…”
mentioning
confidence: 99%
“…Namely, surface functional terminations are able to evidently influence intrinsic physical, chemical, and mechanical properties of MXenes, including work functions, electronic band structures, and hydrogen evolution reactivity. [ 16,37–40 ] Notably, metallic conductivity (> 10 4 S cm −1 for Ti 3 C 2 T x ) and surface hydrophilicity enable various electronic applications of MXenes, including transparent contacts and conductive fillers. [ 41,42 ] Apart from the reported metallic MXenes, semiconducting MXenes have been predicted and synthesized as well.…”
Section: Optical Properties Of Mxenesmentioning
confidence: 99%
“…[23] Yu et al tried Ti3C2Tx as electron-and hole-transport layers in organic solar cells and achieved a PCE of 9.06%. [24] Yet, the applications of MXenes in solar cells remain almost unexplored. Ti3C2Tx has metallic character of conductivity, promising photonic properties, and oxide-like surface termination that can be tuned to exhibit suitable properties as ETL for PSCs.…”
Section: Mxenes Are 2d Transition Metal Carbides and Nitrides With A mentioning
confidence: 99%